Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2859   -0.6398   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0475    0.0466   -1.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    0.4148    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -0.4747    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    1.7980    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127    2.9300    0.3223 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -0.8794   -1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0391   -1.5728   -0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    0.0280   -0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788   -0.1544    1.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -1.4963    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers